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He Lin, Shun-Guan Zhu, Lin Zhang, Xin-Hua Peng, Peng-Yuan Chen and Hong-Zhen Li Intermolecular interactions, thermodynamic properties, crystal structure, and detonation performance of HMX/NTO cocrystal explosive International Journal of Quantum Chemistry 113

Version of Record online: 4 DEC 2012 | DOI: 10.1002/qua.24369

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High energy density explosives like HMX have many military and industrial applications. However, it is desirable to reduce the sensitivity of such explosives to reduce the potential of accidental detonation. A promising approach for this goal is the development of cocrystal explosives, consisting of HMX and an insensitive energetic material. In this work, a new cocrystal explosive with strong intermolecular interactions, thermal stability, and good detonation performances is designed in silico.

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